Compound Detail
CHEMBL336915
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CSCC[C@H](NC(=O)c1ccc(CN(Cc2c[nH]cn2)Cc2c[nH]cn2)cc1-c1ccccc1C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL336915 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNQNJLLRSCYHPU-SANMLTNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
532.7
MW (Da)
4.25
ALogP
6
HBA
4
HBD
127.0
PSA (Ų)
0.20
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 5.9 | nM | 8.23 | Inhibition of Trypanosoma brucei protein farnesyltransferase | 14711313 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14711313 | 10.1021/jm030236o | Protein farnesyltransferase | 2 |
| 14711313 | 10.1021/jm030236o | Trypanosoma brucei brucei | 1 |
| 14711313 | 10.1021/jm030236o | Trypanosoma brucei rhodesiense | 1 |
| 14711313 | 10.1021/jm030236o | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine